2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione

C304H214N32O16S6 — CID 160937262

IUPAC2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=CC=C2C(=O)c3cc4ccccc4cc3C2=O)N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.Cc1cc(C)c(N2C(=CC=C3C(=O)c4cc5ccccc5cc4C3=O)N(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.Cc1cc(N2C(=CC=C3C(=O)c4cc5ccccc5cc4C3=O)N(c3cc(C)nc(C)c3)c3nc4ccccc4nc32)cc(C)n1.Cc1ccsc1N1C(=CC=C2C(=O)c3cc4ccccc4cc3C2=O)N(c2sccc2C)c2nc3ccccc3nc21.O=C1C(=CC=C2N(c3cc4ccccc4s3)c3nc4ccccc4nc3N2c2cc3ccccc3s2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3ccccn3)c3nc4ccccc4nc3N2c2ccccn2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3nc4ccccc4s3)c3nc4ccccc4nc3N2c2nc3ccccc3s2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C46H46N2O2.C40H22N4O2S2.C40H34N2O2.C38H20N6O2S2.C38H28N6O2.C34H20N6O2.C34H22N4O2S2.C34H22N2O2/c1-27(2)33-17-13-18-34(28(3)4)43(33)47-40-21-11-12-22-41(40)48(44-35(29(5)6)19-14-20-36(44)30(7)8)42(47)24-23-37-45(49)38-25-31-15-9-10-16-32(31)26-39(38)46(37)50;45-37-27(38(46)29-20-24-10-2-1-9-23(24)19-28(29)37)17-18-34-43(35-21-25-11-3-7-15-32(25)47-35)39-40(42-31-14-6-5-13-30(31)41-39)44(34)36-22-26-12-4-8-16-33(26)48-36;1-23-17-25(3)37(26(4)18-23)41-34-13-9-10-14-35(34)42(38-27(5)19-24(2)20-28(38)6)36(41)16-15-31-39(43)32-21-29-11-7-8-12-30(29)22-33(32)40(31)44;45-33-23(34(46)25-20-22-10-2-1-9-21(22)19-24(25)33)17-18-32-43(37-41-28-13-5-7-15-30(28)47-37)35-36(40-27-12-4-3-11-26(27)39-35)44(32)38-42-29-14-6-8-16-31(29)48-38;1-21-15-27(16-22(2)39-21)43-34(14-13-29-35(45)30-19-25-9-5-6-10-26(25)20-31(30)36(29)46)44(28-17-23(3)40-24(4)18-28)38-37(43)41-32-11-7-8-12-33(32)42-38;41-31-23(32(42)25-20-22-10-2-1-9-21(22)19-24(25)31)15-16-30-39(28-13-5-7-17-35-28)33-34(40(30)29-14-6-8-18-36-29)38-27-12-4-3-11-26(27)37-33;1-19-13-15-41-33(19)37-28(12-11-23-29(39)24-17-21-7-3-4-8-22(21)18-25(24)30(23)40)38(34-20(2)14-16-42-34)32-31(37)35-26-9-5-6-10-27(26)36-32;37-33-27(34(38)29-22-24-12-8-7-11-23(24)21-28(29)33)19-20-32-35(25-13-3-1-4-14-25)30-17-9-10-18-31(30)36(32)26-15-5-2-6-16-26/h9-30H,1-8H3;1-22H;7-22H,1-6H3;1-20H;5-20H,1-4H3;1-20H;3-18H,1-2H3;1-22H
InChIKeySUAQGYPRUPGBNK-UHFFFAOYSA-N
MW4763.67 g/mol
LogP73.08
Rot. Bonds28

About 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione

2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 160937262) has the molecular formula C304H214N32O16S6 and a molecular weight of 4763.67 g/mol. Its IUPAC name is 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

Compound Name2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
PubChem CID160937262
Molecular FormulaC304H214N32O16S6
Molecular Weight4763.67 g/mol
Exact Mass4759.52
IUPAC Name2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
SMILESCC(C)c1cccc(C(C)C)c1N1C(=CC=C2C(=O)c3cc4ccccc4cc3C2=O)N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.Cc1cc(C)c(N2C(=CC=C3C(=O)c4cc5ccccc5cc4C3=O)N(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.Cc1cc(N2C(=CC=C3C(=O)c4cc5ccccc5cc4C3=O)N(c3cc(C)nc(C)c3)c3nc4ccccc4nc32)cc(C)n1.Cc1ccsc1N1C(=CC=C2C(=O)c3cc4ccccc4cc3C2=O)N(c2sccc2C)c2nc3ccccc3nc21.O=C1C(=CC=C2N(c3cc4ccccc4s3)c3nc4ccccc4nc3N2c2cc3ccccc3s2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3ccccn3)c3nc4ccccc4nc3N2c2ccccn2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3nc4ccccc4s3)c3nc4ccccc4nc3N2c2nc3ccccc3s2)C(=O)c2cc3ccccc3cc21
InChIInChI=1S/C46H46N2O2.C40H22N4O2S2.C40H34N2O2.C38H20N6O2S2.C38H28N6O2.C34H20N6O2.C34H22N4O2S2.C34H22N2O2/c1-27(2)33-17-13-18-34(28(3)4)43(33)47-40-21-11-12-22-41(40)48(44-35(29(5)6)19-14-20-36(44)30(7)8)42(47)24-23-37-45(49)38-25-31-15-9-10-16-32(31)26-39(38)46(37)50;45-37-27(38(46)29-20-24-10-2-1-9-23(24)19-28(29)37)17-18-34-43(35-21-25-11-3-7-15-32(25)47-35)39-40(42-31-14-6-5-13-30(31)41-39)44(34)36-22-26-12-4-8-16-33(26)48-36;1-23-17-25(3)37(26(4)18-23)41-34-13-9-10-14-35(34)42(38-27(5)19-24(2)20-28(38)6)36(41)16-15-31-39(43)32-21-29-11-7-8-12-30(29)22-33(32)40(31)44;45-33-23(34(46)25-20-22-10-2-1-9-21(22)19-24(25)33)17-18-32-43(37-41-28-13-5-7-15-30(28)47-37)35-36(40-27-12-4-3-11-26(27)39-35)44(32)38-42-29-14-6-8-16-31(29)48-38;1-21-15-27(16-22(2)39-21)43-34(14-13-29-35(45)30-19-25-9-5-6-10-26(25)20-31(30)36(29)46)44(28-17-23(3)40-24(4)18-28)38-37(43)41-32-11-7-8-12-33(32)42-38;41-31-23(32(42)25-20-22-10-2-1-9-21(22)19-24(25)31)15-16-30-39(28-13-5-7-17-35-28)33-34(40(30)29-14-6-8-18-36-29)38-27-12-4-3-11-26(27)37-33;1-19-13-15-41-33(19)37-28(12-11-23-29(39)24-17-21-7-3-4-8-22(21)18-25(24)30(23)40)38(34-20(2)14-16-42-34)32-31(37)35-26-9-5-6-10-27(26)36-32;37-33-27(34(38)29-22-24-12-8-7-11-23(24)21-28(29)33)19-20-32-35(25-13-3-1-4-14-25)30-17-9-10-18-31(30)36(32)26-15-5-2-6-16-26/h9-30H,1-8H3;1-22H;7-22H,1-6H3;1-20H;5-20H,1-4H3;1-20H;3-18H,1-2H3;1-22H
InChIKeySUAQGYPRUPGBNK-UHFFFAOYSA-N
XLogP73.08
TPSA531.20 Ų
H-Bond Donors
H-Bond Acceptors54
Rotatable Bonds28
Heavy Atoms358
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004763.67
LogP ≤ 573.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1054

Analyze 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione with MolForge

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Related Compounds

(2E)-2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5-methylindene-1,3-dione
CID 170018829
2-[(2Z)-2-[1-[3,5-bis(4-phenylphenyl)phenyl]-3-[2,6-di(propan-2-yl)phenyl]imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]indene-1,3-dione
CID 176592226
2-[(2E)-2-[1-[2,6-di(propan-2-yl)phenyl]-6-methoxy-3-methylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 170018632
2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 160937263
2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]-5,8-bis(trimethylsilyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158701348
(6E)-6-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[c]pyridine-5,7-dione
CID 176597155
2-[(2E)-2-[3-[2,6-bis[4-(4-chlorophenyl)phenyl]-4-methylphenyl]-1-[2,6-di(propan-2-yl)phenyl]-6,7-dimethylimidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]-5,6-dichloroindene-1,3-dione
CID 176592250
2-[2-[1,3-bis(2,3,4,5,6-pentadeuteriophenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 160691061
4,5,6,7-tetrachloro-2-[(2Z)-2-[3-(2,4,6-tritert-butylphenyl)-1-(2,4,6-trimethylphenyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]indene-1,3-dione
CID 158869773
2-[[9,9-di(propan-2-yl)-10-(2,4,6-trimethylphenyl)acridin-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
CID 155430014
3-[3-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]-5-pyridin-2-yl-10-(2,4,6-trimethylphenyl)benzo[b][1,4]benzazaborinine
CID 140630589
2-[(2E)-2-(9,9-dimethyl-1,3-diphenylindeno[1,2-f]benzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione
CID 158644763

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
The IUPAC name of 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione (CID 160937262) is 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione.
What is the SMILES notation for 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
The canonical SMILES for 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione is CC(C)c1cccc(C(C)C)c1N1C(=CC=C2C(=O)c3cc4ccccc4cc3C2=O)N(c2c(C(C)C)cccc2C(C)C)c2ccccc21.Cc1cc(C)c(N2C(=CC=C3C(=O)c4cc5ccccc5cc4C3=O)N(c3c(C)cc(C)cc3C)c3ccccc32)c(C)c1.Cc1cc(N2C(=CC=C3C(=O)c4cc5ccccc5cc4C3=O)N(c3cc(C)nc(C)c3)c3nc4ccccc4nc32)cc(C)n1.Cc1ccsc1N1C(=CC=C2C(=O)c3cc4ccccc4cc3C2=O)N(c2sccc2C)c2nc3ccccc3nc21.O=C1C(=CC=C2N(c3cc4ccccc4s3)c3nc4ccccc4nc3N2c2cc3ccccc3s2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3ccccc3)c3ccccc3N2c2ccccc2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3ccccn3)c3nc4ccccc4nc3N2c2ccccn2)C(=O)c2cc3ccccc3cc21.O=C1C(=CC=C2N(c3nc4ccccc4s3)c3nc4ccccc4nc3N2c2nc3ccccc3s2)C(=O)c2cc3ccccc3cc21.
What is the InChIKey of 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
The InChIKey is SUAQGYPRUPGBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N2O2.C40H22N4O2S2.C40H34N2O2.C38H20N6O2S2.C38H28N6O2.C34H20N6O2.C34H22N4O2S2.C34H22N2O2/c1-27(2)33-17-13-18-34(28(3)4)43(33)47-40-21-11-12-22-41(40)48(44-35(29(5)6)19-14-20-36(44)30(7)8)42(47)24-23-37-45(49)38-25-31-15-9-10-16-32(31)26-39(38)46(37)50;45-37-27(38(46)29-20-24-10-2-1-9-23(24)19-28(29)37)17-18-34-43(35-21-25-11-3-7-15-32(25)47-35)39-40(42-31-14-6-5-13-30(31)41-39)44(34)36-22-26-12-4-8-16-33(26)48-36;1-23-17-25(3)37(26(4)18-23)41-34-13-9-10-14-35(34)42(38-27(5)19-24(2)20-28(38)6)36(41)16-15-31-39(43)32-21-29-11-7-8-12-30(29)22-33(32)40(31)44;45-33-23(34(46)25-20-22-10-2-1-9-21(22)19-24(25)33)17-18-32-43(37-41-28-13-5-7-15-30(28)47-37)35-36(40-27-12-4-3-11-26(27)39-35)44(32)38-42-29-14-6-8-16-31(29)48-38;1-21-15-27(16-22(2)39-21)43-34(14-13-29-35(45)30-19-25-9-5-6-10-26(25)20-31(30)36(29)46)44(28-17-23(3)40-24(4)18-28)38-37(43)41-32-11-7-8-12-33(32)42-38;41-31-23(32(42)25-20-22-10-2-1-9-21(22)19-24(25)31)15-16-30-39(28-13-5-7-17-35-28)33-34(40(30)29-14-6-8-18-36-29)38-27-12-4-3-11-26(27)37-33;1-19-13-15-41-33(19)37-28(12-11-23-29(39)24-17-21-7-3-4-8-22(21)18-25(24)30(23)40)38(34-20(2)14-16-42-34)32-31(37)35-26-9-5-6-10-27(26)36-32;37-33-27(34(38)29-22-24-12-8-7-11-23(24)21-28(29)33)19-20-32-35(25-13-3-1-4-14-25)30-17-9-10-18-31(30)36(32)26-15-5-2-6-16-26/h9-30H,1-8H3;1-22H;7-22H,1-6H3;1-20H;5-20H,1-4H3;1-20H;3-18H,1-2H3;1-22H.
What are the key properties of 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione?
2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 4763.67 g/mol, XLogP of 73.08, 28 rotatable bonds, 0 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1,3-bis(1,3-benzothiazol-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(1-benzothiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,6-dimethyl-4-pyridinyl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis[2,6-di(propan-2-yl)phenyl]benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(3-methylthiophen-2-yl)imidazo[4,5-b]quinoxalin-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-[1,3-bis(2,4,6-trimethylphenyl)benzimidazol-2-ylidene]ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-diphenylbenzimidazol-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione;2-[2-(1,3-dipyridin-2-ylimidazo[4,5-b]quinoxalin-2-ylidene)ethylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 160937262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).